6-(4-chloro-2-methylanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide

C20H21ClF3N3O2 — CID 44570575

IUPAC6-(4-chloro-2-methylanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)ccc1Nc1cc(C(F)(F)F)c(C(=O)NCC2CCOCC2)cn1
InChIInChI=1S/C20H21ClF3N3O2/c1-12-8-14(21)2-3-17(12)27-18-9-16(20(22,23)24)15(11-25-18)19(28)26-10-13-4-6-29-7-5-13/h2-3,8-9,11,13H,4-7,10H2,1H3,(H,25,27)(H,26,28)
InChIKeyOVVYXZVWNGQLQD-UHFFFAOYSA-N
MW427.85 g/mol
LogP4.96
Rot. Bonds5

About 6-(4-chloro-2-methylanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide

6-(4-chloro-2-methylanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 44570575) has the molecular formula C20H21ClF3N3O2 and a molecular weight of 427.85 g/mol. Its IUPAC name is 6-(4-chloro-2-methylanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chloro-2-methylanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID44570575
Molecular FormulaC20H21ClF3N3O2
Molecular Weight427.85 g/mol
Exact Mass427.13
IUPAC Name6-(4-chloro-2-methylanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)ccc1Nc1cc(C(F)(F)F)c(C(=O)NCC2CCOCC2)cn1
InChIInChI=1S/C20H21ClF3N3O2/c1-12-8-14(21)2-3-17(12)27-18-9-16(20(22,23)24)15(11-25-18)19(28)26-10-13-4-6-29-7-5-13/h2-3,8-9,11,13H,4-7,10H2,1H3,(H,25,27)(H,26,28)
InChIKeyOVVYXZVWNGQLQD-UHFFFAOYSA-N
XLogP4.96
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.85
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylmethyl)-6-(2,4-dichloroanilino)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 44570611
6-(5-chloro-2-hydroxyanilino)-N-(cyclobutylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69355695
N-(cyclopropylmethyl)-6-(3,5-dichloroanilino)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69354655
6-[2-methyl-5-(trifluoromethyl)anilino]-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731811
6-anilino-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69355285
2-(2,5-dichloroanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10253142
6-(4-fluoro-3-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731720
6-anilino-N-(cyclobutylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69354686
6-(2-chloro-5-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731732
6-(3-chloroanilino)-N-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69355064
6-[2-bromo-4-(trifluoromethoxy)anilino]-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 59843529
6-(4-bromo-2-fluoroanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 59843503

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methylanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-chloro-2-methylanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide (CID 44570575) is 6-(4-chloro-2-methylanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-chloro-2-methylanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-chloro-2-methylanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide is Cc1cc(Cl)ccc1Nc1cc(C(F)(F)F)c(C(=O)NCC2CCOCC2)cn1.
What is the InChIKey of 6-(4-chloro-2-methylanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is OVVYXZVWNGQLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3O2/c1-12-8-14(21)2-3-17(12)27-18-9-16(20(22,23)24)15(11-25-18)19(28)26-10-13-4-6-29-7-5-13/h2-3,8-9,11,13H,4-7,10H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 6-(4-chloro-2-methylanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
6-(4-chloro-2-methylanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 427.85 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methylanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 44570575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).